Lines Matching refs:mol3
378 Molecule mol3; in TEST() local
386 mol3.setUnitCell(uc3); in TEST()
388 mol3.addAtom(20).setPosition3d( in TEST()
390 mol3.addAtom(20).setPosition3d( in TEST()
392 mol3.addAtom(20).setPosition3d( in TEST()
394 mol3.addAtom(14).setPosition3d( in TEST()
396 mol3.addAtom(14).setPosition3d( in TEST()
398 mol3.addAtom(14).setPosition3d( in TEST()
400 mol3.addAtom(8).setPosition3d( in TEST()
402 mol3.addAtom(8).setPosition3d( in TEST()
404 mol3.addAtom(8).setPosition3d( in TEST()
406 mol3.addAtom(8).setPosition3d( in TEST()
408 mol3.addAtom(8).setPosition3d( in TEST()
410 mol3.addAtom(8).setPosition3d( in TEST()
412 mol3.addAtom(8).setPosition3d( in TEST()
414 mol3.addAtom(8).setPosition3d( in TEST()
416 mol3.addAtom(8).setPosition3d( in TEST()
421 SpaceGroups::fillUnitCell(mol3, 2, cartTol); in TEST()
424 unsigned short hallNumber3 = AvoSpglib::getHallNumber(mol3, cartTol); in TEST()
428 ASSERT_EQ(mol3.atomCount(), 30); in TEST()